@MOLECULE (1R,2R)-1-[(S)-isopentylsulfinyl]-2-methyl-cyclobutane 32 32 0 0 0 SMALL USER_CHARGES @ATOM 1 C -3.5355 0.5519 0.0695 C.3 1 UNL111 -0.0607 2 C -4.8061 0.0050 -0.5955 C.3 1 UNL111 -0.4599 3 C -3.6823 0.4893 1.5938 C.3 1 UNL111 -0.4539 4 C -2.3153 -0.2664 -0.4055 C.3 1 UNL111 -0.2666 5 C -1.0043 0.4326 -0.0601 C.3 1 UNL111 -0.4903 6 S 0.4198 -0.5836 -0.6477 S.O 1 UNL111 1.0454 7 O 0.2724 -1.9098 0.0037 O.2 1 UNL111 -0.7913 8 C 1.7357 0.2800 0.2930 C.3 1 UNL111 -0.3650 9 H 1.5239 0.2412 1.3722 H 1 UNL111 0.1619 10 C 3.1775 -0.2078 -0.0458 C.3 1 UNL111 -0.0574 11 H 3.2258 -0.9388 -0.8738 H 1 UNL111 0.1425 12 C 3.9577 -0.7201 1.1483 C.3 1 UNL111 -0.4568 13 C 3.5436 1.2368 -0.5049 C.3 1 UNL111 -0.2963 14 C 2.0888 1.6956 -0.2193 C.3 1 UNL111 -0.2705 15 H -3.4009 1.6158 -0.2383 H 1 UNL111 0.1240 16 H -5.6921 0.5656 -0.2794 H 1 UNL111 0.1430 17 H -4.7478 0.0706 -1.6865 H 1 UNL111 0.1392 18 H -4.9735 -1.0462 -0.3343 H 1 UNL111 0.1500 19 H -3.7860 -0.5448 1.9430 H 1 UNL111 0.1511 20 H -2.8129 0.9196 2.1012 H 1 UNL111 0.1407 21 H -4.5665 1.0404 1.9309 H 1 UNL111 0.1414 22 H -2.3505 -1.2782 0.0543 H 1 UNL111 0.1646 23 H -2.3951 -0.4339 -1.4975 H 1 UNL111 0.1385 24 H -0.9452 1.4236 -0.5366 H 1 UNL111 0.1535 25 H -0.9426 0.6006 1.0285 H 1 UNL111 0.1605 26 H 3.5276 -1.6604 1.5233 H 1 UNL111 0.1618 27 H 5.0033 -0.9198 0.8856 H 1 UNL111 0.1463 28 H 3.9577 -0.0067 1.9802 H 1 UNL111 0.1464 29 H 4.3016 1.7278 0.1084 H 1 UNL111 0.1415 30 H 3.8509 1.3156 -1.5488 H 1 UNL111 0.1372 31 H 1.5504 2.0399 -1.1067 H 1 UNL111 0.1384 32 H 2.0060 2.4783 0.5413 H 1 UNL111 0.1407 @BOND 1 1 2 1 2 1 3 1 3 1 4 1 4 4 5 1 5 5 6 1 6 6 7 2 7 6 8 1 8 8 9 1 9 8 10 1 10 10 11 1 11 10 12 1 12 10 13 1 13 13 14 1 14 8 14 1 15 1 15 1 16 2 16 1 17 2 17 1 18 2 18 1 19 3 19 1 20 3 20 1 21 3 21 1 22 4 22 1 23 4 23 1 24 5 24 1 25 5 25 1 26 12 26 1 27 12 27 1 28 12 28 1 29 13 29 1 30 13 30 1 31 14 31 1 32 14 32 1